2-[(3R)-3-[methyl(phenylmethoxycarbonyl)amino]piperidin-1-yl]acetic acid

C16H22N2O4 — CID 66566879

IUPAC2-[(3R)-3-[methyl(phenylmethoxycarbonyl)amino]piperidin-1-yl]acetic acid
SMILESCN(C(=O)OCc1ccccc1)[C@@H]1CCCN(CC(=O)O)C1
InChIInChI=1S/C16H22N2O4/c1-17(14-8-5-9-18(10-14)11-15(19)20)16(21)22-12-13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12H2,1H3,(H,19,20)/t14-/m1/s1
InChIKeyZDTWCOHNTQPTJW-CQSZACIVSA-N
MW306.36 g/mol
LogP1.80
Rot. Bonds5

About 2-[(3R)-3-[methyl(phenylmethoxycarbonyl)amino]piperidin-1-yl]acetic acid

2-[(3R)-3-[methyl(phenylmethoxycarbonyl)amino]piperidin-1-yl]acetic acid (PubChem CID 66566879) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is 2-[(3R)-3-[methyl(phenylmethoxycarbonyl)amino]piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[(3R)-3-[methyl(phenylmethoxycarbonyl)amino]piperidin-1-yl]acetic acid
PubChem CID66566879
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name2-[(3R)-3-[methyl(phenylmethoxycarbonyl)amino]piperidin-1-yl]acetic acid
SMILESCN(C(=O)OCc1ccccc1)[C@@H]1CCCN(CC(=O)O)C1
InChIInChI=1S/C16H22N2O4/c1-17(14-8-5-9-18(10-14)11-15(19)20)16(21)22-12-13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12H2,1H3,(H,19,20)/t14-/m1/s1
InChIKeyZDTWCOHNTQPTJW-CQSZACIVSA-N
XLogP1.80
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3S)-3-[phenylmethoxycarbonyl(propan-2-yl)amino]piperidin-1-yl]acetic acid
CID 66566908
tert-butyl (3R)-3-[methyl(phenylmethoxycarbonyl)amino]piperidine-1-carboxylate
CID 124562604
2-[(3R)-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidin-1-yl]acetic acid
CID 66566410
benzyl N-(3-aminocyclohexyl)-N-methylcarbamate
CID 138114146
benzyl N-[1-(2-aminoethyl)piperidin-3-yl]-N-ethylcarbamate
CID 66566566
2-[(3S)-3-[benzyl(ethyl)amino]piperidin-1-yl]acetic acid
CID 66567272
2-[(3S)-3-[benzyl(propan-2-yl)amino]piperidin-1-yl]acetic acid
CID 66567287
benzyl N-(4-aminocyclohexyl)-N-methylcarbamate
CID 91599052
2-[4-[[ethyl(phenylmethoxycarbonyl)amino]methyl]piperidin-1-yl]acetic acid
CID 66566899
benzyl N-[(3S)-3,4-dihydroxycyclopentyl]-N-methylcarbamate
CID 144529181
benzyl N-[1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-3-yl]-N-methylcarbamate
CID 66566803
benzyl N-[1-[2-(2-methylphenyl)ethyl]piperidin-3-yl]-N-(phenylmethoxycarbonylamino)carbamate
CID 129310455

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-[methyl(phenylmethoxycarbonyl)amino]piperidin-1-yl]acetic acid?
The IUPAC name of 2-[(3R)-3-[methyl(phenylmethoxycarbonyl)amino]piperidin-1-yl]acetic acid (CID 66566879) is 2-[(3R)-3-[methyl(phenylmethoxycarbonyl)amino]piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[(3R)-3-[methyl(phenylmethoxycarbonyl)amino]piperidin-1-yl]acetic acid?
The canonical SMILES for 2-[(3R)-3-[methyl(phenylmethoxycarbonyl)amino]piperidin-1-yl]acetic acid is CN(C(=O)OCc1ccccc1)[C@@H]1CCCN(CC(=O)O)C1.
What is the InChIKey of 2-[(3R)-3-[methyl(phenylmethoxycarbonyl)amino]piperidin-1-yl]acetic acid?
The InChIKey is ZDTWCOHNTQPTJW-CQSZACIVSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-17(14-8-5-9-18(10-14)11-15(19)20)16(21)22-12-13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12H2,1H3,(H,19,20)/t14-/m1/s1.
What are the key properties of 2-[(3R)-3-[methyl(phenylmethoxycarbonyl)amino]piperidin-1-yl]acetic acid?
2-[(3R)-3-[methyl(phenylmethoxycarbonyl)amino]piperidin-1-yl]acetic acid has a molecular weight of 306.36 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-[methyl(phenylmethoxycarbonyl)amino]piperidin-1-yl]acetic acid is sourced from PubChem (CID 66566879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).